4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0059 |
| Compound Name: | 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.61 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1ccc(cc1NS(c1ccccc1C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4173 |
| logD: | 0.9768 |
| logSw: | -4.0474 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.837 |
| InChI Key: | XEJCHONUWWEKRM-UHFFFAOYSA-N |